| SpectraBase Spectrum ID |
HJ5Iu4pAb9n |
| Name |
ALLYLISOTHIOCYANATE |
| CAS Registry Number |
57-06-7 |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB254528 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
99.014270339 u |
| Formula |
C4H5NS |
| InChI |
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2 |
| InChIKey |
ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| Molecular Weight |
99.151 g/mol |
| Nominal Mass |
99 u |
| Number of Peaks |
24 |
| SMILES |
C=CCN=C=S |
| SPLASH |
splash10-000f-9000000000-44aa7584d947a7bb7d10 |
| Source of Spectrum |
Dr. Rolf Kuehnle |
| Synonyms |
3-isothiocyanato-1-propene |
| Technique |
GC/MS |
| Wiley ID |
WID_MSPA_3733 |
